SCHEMBL3075007

SCHEMBL3075007

Clc1ccc(-c2cccc3c2CC2CCNCC32)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.44
HTR2A P28223 2/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2B P41595 2/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3075004 1.00 HTR2C (0.44) HTR2CHTR2AMAPK1KMT2ASLC6A2
SCHEMBL3072516 0.77 HTR2C (0.46) HTR2CHTR2AMAPK1KMT2ASLC6A2
SCHEMBL3072513 0.77 HTR2C (0.46) HTR2CHTR2AMAPK1KMT2ASLC6A2
SCHEMBL3077383 0.76 HTR2C (0.39) HTR2CHTR2AMAPK1KMT2ASLC6A2
SCHEMBL3077387 0.76 HTR2C (0.39) HTR2CHTR2AMAPK1KMT2ASLC6A2
SCHEMBL3087690 0.75 MAPK1 (0.41) HTR2CHTR2AMAPK1KMT2AADRA2A
SCHEMBL13141392 0.75 MAPK1 (0.41) HTR2CHTR2AMAPK1KMT2AADRA2A
SCHEMBL3087693 0.75 MAPK1 (0.41) HTR2CHTR2AMAPK1KMT2AADRA2A
SCHEMBL10725493 0.73 HTR2C (0.42) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL3086298 0.73 HTR2C (0.45) HTR2CHTR2AHTR2BADRA2ADRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US claimed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists HTR2B, HTR2C, HTR1A HTR2C 2/4885HTR2A 8/4885MAPK1 2475/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.